NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4384 8.3049 118.1910 54.8378 32.7603 174.3864 2 T 3.8348 8.0692 115.2752 62.6595 69.5750 170.3930 3 E 5.0185 9.2439 127.2954 54.5368 32.9094 173.9529 4 Y 4.7998 8.9879 124.6570 56.3086 40.6959 174.9186 5 K 4.9560 9.4943 125.5135 55.2840 33.4753 175.6400 6 L 5.0655 9.2253 125.9660 52.8182 44.9150 176.0005 7 V 4.7991 8.1089 121.2596 61.1640 34.9557 174.2060 8 V 4.6766 8.7710 128.1025 61.7419 32.9857 175.0280 9 V 4.6910 9.9891 120.7626 59.1353 36.1044 175.0379 10 G 3.9078 8.4451 108.3404 43.3362 0.0000 172.6163 11 A 4.2483 7.9803 123.1153 51.6506 18.8562 177.3881 12 G 3.6656 8.6058 108.7255 47.5698 0.0000 174.1548 13 G 3.9452 9.0081 111.9398 45.8313 0.0000 174.4771 14 V 3.7855 7.2211 111.6791 61.8527 31.9895 177.0346 15 G 4.2857 8.4939 109.5476 45.6744 0.0000 175.8805 16 K 3.9113 8.5700 120.6658 59.5572 31.9606 179.1878 17 S 4.3375 8.3017 115.7570 60.9718 62.8351 176.3997 18 A 3.9682 7.9769 122.9755 55.2584 18.0894 179.5555 19 L 4.0551 8.3398 117.7772 58.1247 41.6239 179.9370 20 T 3.6915 7.8449 115.2908 66.7900 68.4557 176.9537 21 I 3.4672 7.7616 121.8616 64.0281 36.7665 178.3285 22 Q 3.8925 8.1082 120.5561 58.9736 28.6918 178.0793 23 L 3.8130 7.7096 120.1672 58.1726 42.1683 178.7664 24 I 3.8254 7.5534 118.3783 64.2400 37.3579 177.8001 25 Q 4.2678 8.1919 116.6445 55.3062 29.5764 175.2518 26 N 4.5280 9.3125 114.8152 54.1223 35.8637 173.6787 27 H 4.8619 7.7239 110.0782 54.3563 31.3954 172.5184 28 F 4.6399 8.6746 123.8848 57.6915 40.1132 176.1155 29 V 3.8112 7.7946 120.0973 61.6528 32.9541 177.2388 30 D 3.7824 6.0500 119.4851 55.7768 39.8266 174.1185 31 E 4.2987 8.7974 127.0874 57.2128 29.2991 175.3578 32 F 4.3036 8.4343 123.4373 57.5426 39.5331 174.8417 33 D 4.3036 7.7085 128.8235 51.5089 40.1473 173.1399 34 P 3.8527 0.0000 0.0000 62.3408 31.6985 176.6091 35 T 4.0131 8.8813 119.1000 61.5792 66.4230 173.8971 36 I 3.3388 7.3247 121.1808 59.6017 37.7992 176.4479 37 E 4.2029 8.4052 129.4690 55.7628 28.9732 176.7143 38 D 3.9249 7.2893 123.9988 55.6841 41.1911 173.5507 39 S 4.6793 8.3980 111.7578 56.9579 65.1628 173.2000 40 Y 4.5549 8.6639 119.1202 57.2638 39.4156 175.0185 41 R 5.1944 8.4204 121.6147 54.5594 34.1481 174.4425 42 K 4.5499 8.8744 122.8907 55.3996 36.2598 173.9110 43 Q 4.9386 8.6460 127.7088 55.5576 30.2708 174.8837 44 V 4.5871 8.8868 118.1926 60.0845 37.1465 174.0680 45 V 4.5731 8.3230 121.4132 61.2555 32.8006 174.8284 46 I 4.1285 8.1680 128.5148 60.3899 38.9205 175.5977 47 D 4.4923 9.9005 125.3858 55.2471 38.2461 175.0254 48 G 3.9253 8.5888 107.0249 45.0709 0.0000 173.5405 49 E 4.5146 7.9503 121.4815 54.5770 30.9747 174.6974 50 T 4.7494 8.3903 123.3483 63.0738 69.5352 173.5204 51 C 4.9648 8.8807 120.2392 56.9893 34.2825 171.9451 52 L 5.0577 8.9073 120.6957 53.3374 44.2030 175.1577 53 L 4.8165 9.1156 127.7262 54.0792 43.3619 175.2409 54 D 5.3006 9.4017 124.8412 52.7449 43.3507 174.7062 55 I 4.9326 9.2254 128.2119 59.4811 40.1472 174.5205 56 L 4.7613 9.1307 130.5232 53.5786 43.2196 174.5591 57 D 5.1397 8.8601 127.5310 53.6787 42.4224 175.2896 58 T 4.7287 8.1040 115.4992 60.0143 71.3150 174.1072 59 A 4.5744 8.5364 125.2286 51.4444 20.2578 178.1470 60 G 3.9507 8.1098 110.3300 44.4734 0.0000 172.8108 *69 D 4.4908 8.0601 129.0233 54.2121 41.2983 177.0269 70 Q 4.3026 8.0167 129.2279 60.6649 28.3925 179.0132 *71 Y 4.7159 8.0411 122.2938 62.7601 36.5565 180.9448 72 M 4.8956 8.0934 118.5990 58.2870 32.2591 178.5679 73 R 4.2376 7.5368 115.1884 58.1380 30.4275 178.6581 74 T 4.2545 8.7094 116.6913 65.0472 69.3832 175.6314 75 G 3.6245 8.4993 108.8430 46.5114 0.0000 172.8238 76 E 4.4031 8.9772 122.1422 57.3114 30.9359 176.7510 77 G 4.2761 7.5076 104.6600 44.4350 0.0000 171.5487 78 F 5.3476 9.0283 119.9293 55.2497 42.6077 174.0947 79 L 4.6312 8.9391 126.7547 54.3380 43.0571 175.2625 80 C 4.9271 9.0235 126.3067 58.5793 29.3764 173.0015 81 V 4.9287 8.6933 125.3371 60.9678 33.7448 174.5283 82 F 5.2039 8.9832 121.2447 55.1357 42.2961 172.9551 83 A 5.1885 8.9749 120.7454 49.9312 21.1059 178.0085 84 I 4.0658 8.8066 115.4659 62.6229 37.9495 177.0242 85 N 4.9966 8.0378 116.9922 51.7694 37.4450 174.8705 86 N 4.9286 8.1346 118.5001 51.2473 39.6494 174.5635 87 T 3.9427 8.5221 120.6169 66.1043 68.7267 175.1278 88 K 4.0344 8.2899 121.1964 59.8853 31.8359 178.3749 89 S 4.2434 7.7672 112.5824 61.6894 63.0457 175.9833 90 F 4.0535 8.2235 123.7127 60.9631 38.9375 176.8427 91 E 3.8638 8.5350 118.3646 59.3603 29.2092 178.8060 92 D 4.4522 8.4526 118.4500 56.3524 40.8244 178.4700 93 I 3.8785 7.5493 120.9112 64.7624 37.0722 177.5182 94 H 4.3679 7.6510 120.3142 58.8125 29.6719 177.3568 95 Q 3.8268 7.9762 119.2518 59.0776 28.6290 178.0607 96 Y 3.9454 7.6294 117.3492 61.1380 37.9365 178.8100 97 R 3.7253 8.1366 119.5662 59.3979 30.1002 178.4553 98 E 3.8236 7.8846 118.4981 59.1085 29.3250 179.0808 99 Q 3.8507 8.0083 119.6750 59.1338 29.0605 178.2151 100 I 3.3850 7.5638 120.7520 64.3748 37.1607 178.5834 101 K 4.2588 7.8457 120.4396 58.8124 31.8136 179.7254 102 R 3.8339 7.9730 118.3038 59.3600 29.8604 179.2917 103 V 3.6048 7.7960 116.9206 65.8297 31.6563 177.6024 104 K 4.1930 8.2801 116.0635 56.4296 32.0871 176.8879 105 D 4.5211 7.7987 117.5454 54.8325 39.1929 173.1865 106 S 4.6837 7.7619 111.7321 56.8252 65.2921 173.9749 107 D 4.7375 8.6526 124.4914 54.4206 40.9464 176.5690 108 D 4.5611 8.0355 119.0793 52.3187 41.9793 173.6637 109 V 4.4451 7.8683 124.0296 59.5410 34.2930 173.4874 110 P 4.3029 0.0000 0.0000 63.3987 32.0021 175.1299 111 M 5.3818 8.3533 122.1144 54.4770 36.3684 174.2457 112 V 4.6328 8.6045 120.5971 61.1517 35.5835 173.9453 113 L 4.9107 9.1271 130.3590 54.6441 43.6302 175.2855 114 V 4.6217 9.1120 126.5439 61.0308 34.4876 174.3373 115 G 3.3690 8.5728 116.1325 44.7981 0.0000 172.3672 116 N 5.2367 8.4258 125.8887 51.3292 41.9774 174.4255 117 K 4.1568 8.4186 117.6365 57.9740 28.6979 177.8050 118 C 4.3844 8.0237 115.8992 61.1200 28.1563 174.7119 119 D 4.4749 7.8090 118.6973 54.5314 39.6541 176.4500 120 L 4.3395 7.6087 120.3821 53.9512 42.5338 176.8402 121 A 4.0954 8.4614 124.4870 54.3344 19.7485 178.2387 122 A 4.2953 7.6426 121.1120 51.2179 17.2805 177.1968 123 R 4.2341 7.6151 121.9869 55.6920 30.9511 175.8541 124 T 4.3713 8.5577 114.7568 61.1262 69.9455 174.1448 125 V 4.1676 7.5058 122.0457 60.8297 33.1077 175.2511 126 E 4.2168 9.0900 128.1113 55.8419 31.4490 177.8649 127 S 4.2846 8.6414 116.1238 61.6955 62.3553 176.7584 128 R 3.8687 7.8730 120.9934 59.2477 29.9550 178.2509 129 Q 3.8876 7.8348 117.2283 59.0012 28.7006 178.6531 130 A 4.0140 7.5909 121.5136 54.9635 18.1968 179.6263 131 Q 3.7945 7.8186 116.6020 59.3053 28.8259 178.8525 132 D 4.2752 8.2110 119.9491 57.0970 40.2546 178.7540 133 L 3.5519 7.6930 120.4383 58.0534 42.0755 178.8784 134 A 4.0913 7.9823 120.8253 55.2142 18.3133 179.6049 135 R 3.8772 8.2611 117.7487 59.4461 29.9474 178.8713 136 S 4.1724 7.8637 113.0783 60.7169 63.0989 175.0173 137 Y 4.8087 7.5067 117.9579 56.5788 38.4991 175.4688 138 G 4.1131 8.1662 108.2218 46.8539 0.0000 173.1952 139 I 4.8567 8.0270 110.7503 57.8687 41.2328 174.0792 140 P 4.6284 0.0000 0.0000 62.7979 32.6905 174.5851 141 Y 5.3906 8.6091 122.9856 56.0205 41.3638 174.7335 142 I 4.3226 8.4157 126.7167 59.3840 41.0055 174.1227 143 E 4.6935 8.3610 126.2222 55.3294 30.7336 175.4886 144 T 4.8769 9.0388 113.5077 59.9843 73.4061 172.8123 145 S 4.7320 8.8491 115.9690 56.6591 64.7974 174.5953 146 A 4.1381 8.5756 129.8902 54.3232 18.6639 178.6585 147 K 2.5644 7.7321 116.8534 59.2128 32.2423 178.0892 148 T 3.9062 7.5434 106.3731 61.7375 69.2633 175.5021 149 R 3.8147 8.0911 121.6413 56.1061 29.7927 175.1507 150 Q 3.8776 7.5169 117.9079 58.4681 29.3462 177.7136 151 G 3.9238 8.8610 111.7738 46.3201 0.0000 175.5041 152 V 3.5515 7.5825 119.7756 66.1713 31.5270 177.7957 153 E 3.6696 7.9735 117.8009 59.2478 29.1130 178.8526 154 D 4.2828 7.9416 118.2207 57.2535 41.0339 178.3700 155 A 3.8685 8.0447 121.1294 55.4214 18.3597 179.8160 156 F 4.0904 8.0782 115.5988 60.9178 39.0737 177.7439 157 Y 4.1655 8.7537 116.8698 61.4032 37.5565 178.7011 158 T 3.9165 8.4098 117.1100 66.4788 68.5435 176.4295 159 L 3.9218 7.8036 121.9838 58.1456 42.0795 179.1598 160 V 3.3335 7.9352 118.2590 65.9863 31.3280 178.2430 161 R 3.8848 8.0156 117.8245 59.2471 29.6522 178.8661 162 E 4.0923 8.1673 117.7725 59.3728 29.6579 179.2481 163 I 3.9571 7.8218 119.9392 64.5159 37.0229 178.6545 164 R 4.0984 8.0476 117.8287 59.4423 29.9300 178.8550 165 Q 4.1800 8.0614 117.0152 58.5275 28.8227 176.4332 166 H 4.5616 7.8998 120.8545 55.9483 29.0653 174.9289 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.44 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 T 8.07 3.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 3 E 9.24 5.02 0.00 1.86 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 4 Y 8.99 4.80 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.49 4.96 0.00 1.66 1.73 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 L 9.23 5.07 0.00 1.63 1.58 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.11 4.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.79 0.00 0.00 8 V 8.77 4.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.09 0.00 0.00 9 V 9.99 4.69 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 10 G 8.45 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.98 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.61 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.22 3.79 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.06 0.00 0.00 15 G 8.49 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.57 3.91 0.00 1.82 2.01 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.52 7.81 17 S 8.30 4.34 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.98 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.34 4.06 0.00 1.80 1.98 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.84 3.69 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 21 I 7.76 3.47 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.32 0.83 0.00 0.00 22 Q 8.11 3.89 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 23 L 7.71 3.81 0.00 1.23 1.29 0.78 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.55 3.83 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.96 0.00 0.00 25 Q 8.19 4.27 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 26 N 9.31 4.53 0.00 2.94 2.99 0.00 0.00 6.75 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.72 4.86 0.00 3.25 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.67 4.64 0.00 2.90 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.79 3.81 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.68 0.00 0.00 30 D 6.05 3.78 0.00 2.67 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.80 4.30 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 32 F 8.43 4.30 0.00 2.87 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.71 4.30 0.00 2.49 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 3.85 0.00 2.31 2.23 0.00 3.63 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 35 T 8.88 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 I 7.32 3.34 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 1.00 0.00 0.00 37 E 8.41 4.20 0.00 1.66 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 38 D 7.29 3.92 0.00 2.70 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.40 4.68 0.00 4.16 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.66 4.55 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.42 5.19 0.00 1.64 1.79 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 42 K 8.87 4.55 0.00 1.84 1.59 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.39 7.81 43 Q 8.65 4.94 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 44 V 8.89 4.59 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.84 0.00 0.00 45 V 8.32 4.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 46 I 8.17 4.13 1.55 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.59 0.00 0.00 47 D 9.90 4.49 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.59 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.95 4.51 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 50 T 8.39 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 C 8.88 4.96 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.91 5.06 0.00 1.75 1.55 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.12 4.82 0.00 1.62 1.61 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.40 5.30 0.00 2.71 2.55 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0.00 0.00 0.00 137 Y 7.51 4.81 0.00 3.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.03 4.86 2.19 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 1.08 0.00 0.00 140 P 0.00 4.63 0.00 2.15 2.06 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 141 Y 8.61 5.39 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.42 4.32 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.80 0.00 0.00 143 E 8.36 4.69 0.00 1.69 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 144 T 9.04 4.88 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 145 S 8.85 4.73 0.00 3.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.58 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.73 2.56 0.00 0.96 1.43 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.96 0.22 7.81 148 T 7.54 3.91 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 149 R 8.09 3.81 0.00 2.01 2.00 0.00 3.18 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 150 Q 7.52 3.88 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 151 G 8.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.58 3.55 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.93 0.00 0.00 153 E 7.97 3.67 0.00 1.66 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 154 D 7.94 4.28 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.04 3.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.08 4.09 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.75 4.17 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.41 3.92 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 159 L 7.80 3.92 0.00 1.75 1.86 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.94 3.33 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.59 0.00 0.00 161 R 8.02 3.88 0.00 2.08 1.97 0.00 3.21 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 162 E 8.17 4.09 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 163 I 7.82 3.96 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 1.15 0.00 0.00 164 R 8.05 4.10 0.00 1.96 2.05 0.00 3.09 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 165 Q 8.06 4.18 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 166 H 7.90 4.56 0.00 3.18 3.27 0.00 5.88 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.